SCHEMBL14744716

SCHEMBL14744716

CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOS(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.46
CA2 P00918 8/20 0.46
CA12 O43570 7/20 0.46
CA9 Q16790 7/20 0.46
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
IDO1 P14902 1/20 0.39
BCHE P06276 1/20 0.39
CNR2 P34972 1/20 0.39
EPHX1 P07099 1/20 0.38
ADRB2 P07550 1/20 0.38
HTR1A P08908 1/20 0.38
MALT1 Q9UDY8 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21070363 1.00 CA1 (0.46) CA1CA2CA12CA9TDP1
SCHEMBL14740858 1.00 CA1 (0.46) CA1CA2CA12CA9TDP1
SCHEMBL14745097 1.00 CA1 (0.46) CA1CA2CA12CA9TDP1
SCHEMBL31395837 1.00 CA1 (0.46) CA1CA2CA12CA9TDP1
SCHEMBL499627 1.00 CA1 (0.46) CA1CA2CA12CA9TDP1
SCHEMBL21070189 1.00 CA1 (0.46) CA1CA2CA12CA9TDP1
SCHEMBL15969366 1.00 CA1 (0.46) CA1CA2CA12CA9TDP1
SCHEMBL14745412 1.00 CA1 (0.46) CA1CA2CA12CA9TDP1
SCHEMBL26641014 0.93 TDP1 (0.45) CA1CA2CA12CA9TDP1
SCHEMBL28520852 0.91 TDP1 (0.46) CA1CA2CA12CA9TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
WO-2013033268-A2 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME BRDT, BRD2, BRD4 CA1 3444/4885CA2 3216/4885CA12 3591/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.